input word = C00019822

Metabolite InformationStructural formula
Name Columbianetin-beta-D-glucopyranoside
Formula C20H24O9
Mw 408.14203237
CAS RN 55836-35-6
C_ID C00019822 ,
InChIKey UCJHITBUIWHISE-CLQBFLLDNA-N
InChICode InChI=1S/C20H24O9/c1-20(2,29-19-17(25)16(24)15(23)12(8-21)27-19)13-7-10-11(26-13)5-3-9-4-6-14(22)28-18(9)10/h3-6,12-13,15-17,19,21,23-25H,7-8H2,1-2H3/t12-,13+,15-,16+,17+,19+/m1/s1
SMILES CC(C)(O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApiaceaeAngelica pubescens Ref.
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